SCHEMBL1753548

SCHEMBL1753548

CSc1ncc(-c2cc(C)ccc2C)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.38
AURKA O14965 2/20 0.36
KDR P35968 2/20 0.36
AURKB Q96GD4 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
AHR P35869 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
CCR6 P51684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1753652 0.73 LMNA (0.39) HTTLMNAMEN1KMT2AATM
SCHEMBL26232902 0.72 CYP1A2 (0.45) LMNAMEN1KMT2AATMRAB9A
SCHEMBL12051523 0.70 ALDH1A1 (0.45) LMNAMEN1KMT2AAHRNPC1
SCHEMBL31591033 0.70 ALDH1A1 (0.45) LMNAMEN1KMT2AAHRNPC1
SCHEMBL197716 0.70 ALDH1A1 (0.52) LMNATHRBMEN1KMT2AATM
SCHEMBL4188897 0.67 DHFR (0.54) KDR
SCHEMBL25917597 0.66 UHRF1 (0.41) LMNAMEN1KMT2AATMPDE10A
SCHEMBL16682364 0.66 HASPIN (0.35) HTTLMNAMEN1KMT2AAHR
SCHEMBL8885415 0.66 LMNA (0.50) HTTLMNATHRBMEN1KMT2A
SCHEMBL27409908 0.66 CYP1A2 (0.49) HTTLMNAAURKAKDRAURKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed